*****Potential Energy Surface *****

    H3 DMBE potential energy surface

    Ground electronic state surface

    First excited electronic state surface

    Ground and first excited coupling surface
       This coupling is not in standard diabatic form
       It is composed of 3 surfaces:
          <psi|dpse/dQ>,<psi|dpse/ds>,<psi|dpse/dchi>
       It is activated by NFLAG(4), not NASURF
       No derivatives of these surfaces are coded
       To avoid interface problems with utility programs, nasurf12,21 set to 0


 *****


  A. J. C. Varandas, F. B. Brown, C. A. Mead,                                
  D. G. Truhlar, N. C. Blais,                                                
  J. Chem. Phys. 86, 6258(1987)                                              
                                                                             
                                                                             


   MAX. AND ACTUAL NO. OF EXCITED SURFACES:   1       1
   MAX. AND ACTUAL ORDER OF DERIVATIVES:      1       1

  The potential routine in POTLIB assumes a
  default labeling of the atoms.  The user has
  made the following selection of atomic labels:

               DEFAULT                         USER-SELECTED

  Atom  1 is       H                                   H 
  Atom  2 is       H                                   H 
  Atom  3 is       H                                   H 


  Atom  1  H  is a member of Reactant #1
  Atom  2  H  is a member of Reactant #2
  Atom  3  H  is a member of Reactant #2

  The Potential Energy is Zero for the following
  geometric arrangement:  The reactants are at
  their equilibrium geometries, widely separated.


  Reactant #1
  H 

  Reactant #2
  H H 

  The default units are:
     BOHR FOR DISTANCE
     HARTREE FOR ENERGY


  The user has chosen units :
     BOHR                 FOR DISTANCE
     HARTREE              FOR ENERGY


  To reset the zero-of-energy, assign a
  non-zero value to the variable ANUZERO.
  The value of ANUZERO will be SUBTRACTED from
  the energy calculated by this routine.

  GS Energy         0.02561456851801

  Derivative          0.02176480146    -0.01511787845     0.00000000000
  Derivative         -0.00808635671    -0.00143558926     0.00000000000
  Derivative         -0.01367844475     0.01655346771     0.00000000000
  1th Excited State Energy    0.236781289562500    
  Derivative         -0.04258902925     0.02096070341     0.00000000000
  Derivative          0.11165228219     0.01669970237     0.00000000000
  Derivative         -0.06906325295    -0.03766040578     0.00000000000
   nflag(4) controled coupling energies
    0.387194954714442       -0.181782373260322       -0.242955714662999